SCHEMBL22010770

SCHEMBL22010770

N#Cc1ccc(Oc2ccc(C3=C[C@H]4CNC[C@H]4C3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.45
HRH2 P25021 3/20 0.45
HRH1 P35367 3/20 0.45
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
P2RY14 Q15391 1/20 0.35
CHRNB2 P17787 6/20 0.35
CHRNB4 P30926 6/20 0.35
CHRNA3 P32297 6/20 0.35
CHRNA7 P36544 6/20 0.35
CHRNA4 P43681 6/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22010488 0.88 TNK2 (0.39) HRH3HRH2HRH1P2RY14CHRNB2
SCHEMBL22010508 0.83 CHRNB2 (0.45) P2RY14CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22010897 0.81 CHRNB2 (0.43) P2RY14CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22010766 0.81 AR (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22010484 0.76 MEN1 (0.40) HRH3MEN1KMT2AP2RY14CHRNB2
SCHEMBL22011040 0.76 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5939128 0.73 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5939134 0.73 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22010756 0.73 CHRNB2 (0.36) P2RY14CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22805515 0.72 P2RY14 (0.41) P2RY14CHRNB2CHRNB4CHRNA3CHRNA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC HRH3 4403/4885HRH2 3521/4885HRH1 2179/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.